GBIS parameters

From: Paula Mihaljevic-Juric (paula.mihaljevic-juric_at_polytechnique.edu)
Date: Wed Oct 02 2019 - 09:57:40 CDT

Dear NAMD users,

I would like to understand how does NAMD read radius used for GBIS and is it possible to change a value of a specific atom (like ZN2+ or MG2+)?

For example, in AMBER there is a statement to change a default value, whereas in CHARMM I am able to directly change the GB radius in the parameter file.

I would appreciate someones help.

Thank you
Paula

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